HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=250",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=248",
"results": [
{
"id": "jvasp-50303",
"created_at": "2022-09-04T14:37:12.960133Z",
"updated_at": "2022-09-04T14:37:12.960159Z",
"structure_string": "Ba1 Nd1 O3\n1.0\n4.551037 0.000000 -0.000000\n-0.000000 4.551037 0.000000\n0.000000 -0.000000 4.551037\nBa Nd O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Nd\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Nd",
"O"
],
"chemical_system": "Ba-Nd-O",
"density": 5.805798792129123,
"density_atomic": 0.053044322315027335,
"volume": 94.26079515740201,
"volume_molar": 11.353035531748027,
"formula_full": "Ba1 Nd1 O3",
"formula_reduced": "BaNdO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.2870815940000002,
"spacegroup": 221
},
{
"id": "jvasp-7877",
"created_at": "2022-09-04T14:37:07.651024Z",
"updated_at": "2022-09-04T14:37:07.651045Z",
"structure_string": "Ba1 Nd2 Co1 O5\n1.0\n3.614492 0.000004 -1.041299\n-0.746728 5.343952 -2.591972\n0.046153 0.026454 6.953920\nBa Nd Co O\n1 2 1 5\ndirect\n0.000000 0.000000 0.000000 Ba\n0.797174 0.297177 0.594356 Nd\n0.202824 0.702820 0.405643 Nd\n0.500000 0.499999 -0.000000 Co\n0.354531 0.599000 0.709079 O\n0.645466 0.400997 0.290919 O\n0.645467 0.889916 0.290918 O\n0.354532 0.110081 0.709080 O\n-0.000000 0.500000 0.000000 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ba",
"Nd",
"Co",
"O"
],
"chemical_system": "Ba-Co-Nd-O",
"density": 6.954470546993224,
"density_atomic": 0.06674335224255502,
"volume": 134.84489012917263,
"volume_molar": 9.022832323606803,
"formula_full": "Ba1 Nd2 Co1 O5",
"formula_reduced": "BaNd2CoO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 2.0995808188888887,
"spacegroup": 71
},
{
"id": "jvasp-90472",
"created_at": "2022-09-04T14:35:58.613806Z",
"updated_at": "2022-09-04T14:35:58.613834Z",
"structure_string": "Ba1 Nd2 Ni1 O5\n1.0\n3.669151 0.000005 -1.073507\n-0.759230 5.315592 -2.595107\n0.021637 0.017209 6.881394\nBa Nd Ni O\n1 2 1 5\ndirect\n0.500001 0.500000 0.000001 Ba\n0.298569 0.798566 0.597135 Nd\n0.701434 0.201433 0.402864 Nd\n0.000000 0.000000 0.000001 Ni\n0.500000 0.000001 0.000001 O\n0.144443 0.901821 0.288879 O\n0.855558 0.098179 0.711120 O\n0.855557 0.612940 0.711117 O\n0.144444 0.387061 0.288883 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ba",
"Nd",
"Ni",
"O"
],
"chemical_system": "Ba-Nd-Ni-O",
"density": 6.968612841093841,
"density_atomic": 0.06690748809650755,
"volume": 134.5140918609644,
"volume_molar": 9.000697726558867,
"formula_full": "Ba1 Nd2 Ni1 O5",
"formula_reduced": "BaNd2NiO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.8078020966666668,
"spacegroup": 71
},
{
"id": "jvasp-22871",
"created_at": "2022-09-04T14:37:33.198445Z",
"updated_at": "2022-09-04T14:37:33.198472Z",
"structure_string": "Ba1 Ni12 B6\n1.0\n5.942841 -0.002139 -1.548738\n-2.003567 5.594916 -1.548738\n-0.001507 -0.002139 6.141331\nBa Ni B\n1 12 6\ndirect\n0.000000 0.000000 0.000000 Ba\n0.466559 0.466560 0.187963 Ni\n0.867682 0.132317 0.499999 Ni\n0.499999 0.867683 0.132317 Ni\n0.132316 0.500000 0.867682 Ni\n0.533439 0.533440 0.812036 Ni\n0.533440 0.812037 0.533440 Ni\n0.812036 0.533440 0.533440 Ni\n0.132317 0.867683 0.500000 Ni\n0.187963 0.466560 0.466559 Ni\n0.466559 0.187964 0.466559 Ni\n0.499999 0.132317 0.867682 Ni\n0.867682 0.500000 0.132317 Ni\n0.354001 0.769510 0.769509 B\n0.769509 0.354002 0.769509 B\n0.230490 0.645999 0.230490 B\n0.230489 0.230490 0.645998 B\n0.645998 0.230490 0.230489 B\n0.769509 0.769510 0.354001 B\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Ba",
"Ni",
"B"
],
"chemical_system": "B-Ba-Ni",
"density": 7.374169254600378,
"density_atomic": 0.09307717321431531,
"volume": 204.13168281605903,
"volume_molar": 6.47005119733674,
"formula_full": "Ba1 Ni12 B6",
"formula_reduced": "Ba(Ni2B)6",
"formula_anonymous": "AB6C12",
"energy_above_hull": 2.5762589615789477,
"spacegroup": 166
},
{
"id": "jvasp-69309",
"created_at": "2022-09-04T14:35:43.540361Z",
"updated_at": "2022-09-04T14:35:43.540388Z",
"structure_string": "Ba1 Ni1 Cl2\n1.0\n3.795151 -0.000000 0.000000\n0.000000 3.795151 -0.000000\n-0.000000 -0.000000 6.661839\nBa Ni Cl\n1 1 2\ndirect\n0.500000 0.500000 0.773196 Ba\n0.000000 0.000000 0.375444 Ni\n0.000000 0.000000 0.007773 Cl\n0.500000 0.500000 0.343587 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ni",
"Cl"
],
"chemical_system": "Ba-Cl-Ni",
"density": 4.619429822666555,
"density_atomic": 0.04168768114754245,
"volume": 95.9516070429311,
"volume_molar": 14.44585209401846,
"formula_full": "Ba1 Ni1 Cl2",
"formula_reduced": "BaNiCl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0023716262499999,
"spacegroup": 99
},
{
"id": "jvasp-85447",
"created_at": "2022-09-04T14:35:45.281690Z",
"updated_at": "2022-09-04T14:35:45.281723Z",
"structure_string": "Ba1 Ni1 F6\n1.0\n4.805402 -0.031670 -0.704612\n-0.810914 4.736593 -0.704612\n-0.026888 -0.031670 4.856712\nBa Ni F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ni\n0.733048 0.733047 0.073681 F\n0.733047 0.073681 0.733048 F\n0.266952 0.926319 0.266952 F\n0.266952 0.266952 0.926319 F\n0.926319 0.266952 0.266952 F\n0.073681 0.733047 0.733048 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Ni",
"F"
],
"chemical_system": "Ba-F-Ni",
"density": 4.671186060199112,
"density_atomic": 0.07259240836299223,
"volume": 110.20436131553416,
"volume_molar": 8.295827202600568,
"formula_full": "Ba1 Ni1 F6",
"formula_reduced": "BaNiF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-65353",
"created_at": "2022-09-04T14:35:47.117931Z",
"updated_at": "2022-09-04T14:35:47.117957Z",
"structure_string": "Ba1 Ni1 Ge2\n1.0\n3.383148 0.000000 -0.000000\n0.000000 3.383148 0.000000\n0.000000 -0.000000 7.347301\nBa Ni Ge\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.829040 Ge\n0.000000 0.000000 0.170960 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ni",
"Ge"
],
"chemical_system": "Ba-Ge-Ni",
"density": 6.739319851412912,
"density_atomic": 0.04756529179092225,
"volume": 84.09493244743204,
"volume_molar": 12.660788010028178,
"formula_full": "Ba1 Ni1 Ge2",
"formula_reduced": "BaNiGe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5641800674999999,
"spacegroup": 123
},
{
"id": "jvasp-107876",
"created_at": "2022-09-04T14:36:53.158041Z",
"updated_at": "2022-09-04T14:36:53.158075Z",
"structure_string": "Ba1 Ni1 I1 O6\n1.0\n5.164955 -0.000000 0.000000\n-2.582478 4.472983 0.000000\n-0.000000 -0.000000 5.804889\nBa Ni I O\n1 1 1 6\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666666 0.500000 Ni\n0.666667 0.333333 0.500000 I\n0.387694 0.006355 0.688772 O\n0.993646 0.381338 0.688772 O\n0.618661 0.612306 0.688772 O\n0.993646 0.612306 0.311228 O\n0.618662 0.006355 0.311228 O\n0.387694 0.381338 0.311228 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ba",
"Ni",
"I",
"O"
],
"chemical_system": "Ba-I-Ni-O",
"density": 5.1870901937719225,
"density_atomic": 0.06710962315963248,
"volume": 134.10893365608473,
"volume_molar": 8.973587507227153,
"formula_full": "Ba1 Ni1 I1 O6",
"formula_reduced": "BaNiIO6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 1.8246628494444448,
"spacegroup": 149
},
{
"id": "jvasp-65357",
"created_at": "2022-09-04T14:35:53.717198Z",
"updated_at": "2022-09-04T14:35:53.717228Z",
"structure_string": "Ba1 Ni1 Mo2\n1.0\n3.318310 0.000000 0.000000\n0.000000 3.339293 0.000000\n0.000000 0.000000 7.569102\nBa Ni Mo\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.851922 Mo\n0.000000 0.000000 0.148078 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ni",
"Mo"
],
"chemical_system": "Ba-Mo-Ni",
"density": 7.679863202556542,
"density_atomic": 0.047691847947898616,
"volume": 83.87177624926247,
"volume_molar": 12.627191059107087,
"formula_full": "Ba1 Ni1 Mo2",
"formula_reduced": "BaNiMo2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.3560475425,
"spacegroup": 123
},
{
"id": "jvasp-100698",
"created_at": "2022-09-04T14:36:39.340287Z",
"updated_at": "2022-09-04T14:36:39.340311Z",
"structure_string": "Ba1 Ni1 O3\n1.0\n3.952924 -0.000000 0.000000\n0.000000 3.952924 0.000000\n-0.000000 -0.000000 3.952924\nBa Ni O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.499999 0.499999 0.499999 Ni\n-0.000000 0.499999 0.499999 O\n0.499999 0.000000 0.499999 O\n0.499999 0.499999 -0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Ni",
"O"
],
"chemical_system": "Ba-Ni-O",
"density": 6.560193279024319,
"density_atomic": 0.08094958202518779,
"volume": 61.76684146984514,
"volume_molar": 7.439372272640256,
"formula_full": "Ba1 Ni1 O3",
"formula_reduced": "BaNiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.3786677740000002,
"spacegroup": 221
},
{
"id": "jvasp-65379",
"created_at": "2022-09-04T14:35:53.807173Z",
"updated_at": "2022-09-04T14:35:53.807193Z",
"structure_string": "Ba1 Ni1 P2\n1.0\n3.414415 0.000000 -0.000000\n0.000000 3.414415 0.000000\n-0.000000 0.000000 6.673350\nBa Ni P\n1 1 2\ndirect\n0.500001 0.500001 0.000000 Ba\n0.500001 0.500001 0.500000 Ni\n0.000000 0.000000 0.659489 P\n0.000000 0.000000 0.340511 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ni",
"P"
],
"chemical_system": "Ba-Ni-P",
"density": 5.50602642992153,
"density_atomic": 0.0514142466808803,
"volume": 77.79944778394471,
"volume_molar": 11.712980640129627,
"formula_full": "Ba1 Ni1 P2",
"formula_reduced": "BaNiP2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6274773425000002,
"spacegroup": 123
},
{
"id": "jvasp-69245",
"created_at": "2022-09-04T14:35:48.153708Z",
"updated_at": "2022-09-04T14:35:48.153739Z",
"structure_string": "Ba1 Ni1 Pd2\n1.0\n4.304057 0.000000 0.000000\n0.000000 4.304057 -0.000000\n0.000000 -0.000000 4.309579\nBa Ni Pd\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.500000 Ni\n0.500000 0.000000 0.000000 Pd\n0.000000 0.500000 0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ni",
"Pd"
],
"chemical_system": "Ba-Ni-Pd",
"density": 8.504196214646226,
"density_atomic": 0.05010362135629376,
"volume": 79.83454871565966,
"volume_molar": 12.019372246919492,
"formula_full": "Ba1 Ni1 Pd2",
"formula_reduced": "BaNiPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0377099425,
"spacegroup": 123
}
]
}